Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "d441392f381d637ca08a55eaf70e5b02",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 43.962,
"b": 102.011,
"c": 146.847,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03317],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.180,1.870],
"number_observations": 371386,
"number_observations_unique": 55442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.910,1.870],
"number_observations": 23818,
"number_observations_unique": 3552,
"quality_factors": [
{
"type": "R(merge)",
"value": 6.485
},
{
"type": "R(meas)",
"value": 7.027
},
{
"type": "R(pim)",
"value": 2.670
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.347
}
]
},
{
"resolution_limits": [48.180,8.970],
"number_observations": 3533,
"number_observations_unique": 602,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 49.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}